N-[2-[2-[2-(prop-2-enoylamino)ethoxy]propoxy]ethyl]prop-2-enamide

C13H22N2O4 — CID 58412122

IUPACN-[2-[2-[2-(prop-2-enoylamino)ethoxy]propoxy]ethyl]prop-2-enamide
SMILESC=CC(=O)NCCOCC(C)OCCNC(=O)C=C
InChIInChI=1S/C13H22N2O4/c1-4-12(16)14-6-8-18-10-11(3)19-9-7-15-13(17)5-2/h4-5,11H,1-2,6-10H2,3H3,(H,14,16)(H,15,17)
InChIKeySONIYYGDAQDFNV-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.01
Rot. Bonds11

About N-[2-[2-[2-(prop-2-enoylamino)ethoxy]propoxy]ethyl]prop-2-enamide

N-[2-[2-[2-(prop-2-enoylamino)ethoxy]propoxy]ethyl]prop-2-enamide (PubChem CID 58412122) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-[2-[2-[2-(prop-2-enoylamino)ethoxy]propoxy]ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[2-[2-(prop-2-enoylamino)ethoxy]propoxy]ethyl]prop-2-enamide
PubChem CID58412122
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC NameN-[2-[2-[2-(prop-2-enoylamino)ethoxy]propoxy]ethyl]prop-2-enamide
SMILESC=CC(=O)NCCOCC(C)OCCNC(=O)C=C
InChIInChI=1S/C13H22N2O4/c1-4-12(16)14-6-8-18-10-11(3)19-9-7-15-13(17)5-2/h4-5,11H,1-2,6-10H2,3H3,(H,14,16)(H,15,17)
InChIKeySONIYYGDAQDFNV-UHFFFAOYSA-N
XLogP0.01
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(prop-2-enoylamino)ethyl 2-hydroxypropanoate
CID 87097476
N-[2-(2-aminoethoxy)ethyl]prop-2-enamide
CID 88553408
N-(4-propan-2-yloxybutyl)prop-2-enamide
CID 59532945
N-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]prop-2-enamide
CID 172914434
N-[2-(2-methoxypropoxy)ethyl]-4-oxohex-5-enamide
CID 91257741
3-(prop-2-enoylamino)propyl 2-methylpropanoate
CID 147188833
bis(prop-1-ene);2-[2-(2-prop-2-enoyloxyethoxy)propoxy]ethyl prop-2-enoate
CID 118062251
2-[2-[2-(2-prop-2-enoyloxyethoxy)propoxy]propoxy]ethyl prop-2-enoate
CID 154586565
tert-butyl N-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethyl]carbamate
CID 101164544
N-[3-[3-(prop-2-enoylamino)propoxy]propyl]prop-2-enamide
CID 58402359
2-[1-[2-[2-[2-(2-prop-2-enoyloxyethylcarbamoyloxy)propoxy]propoxy]propoxy]propan-2-yloxycarbonylamino]ethyl prop-2-enoate
CID 153411308
N-[3-[3,4-bis[3-(prop-2-enoylamino)propoxy]butoxy]propyl]prop-2-enamide
CID 144750197

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(prop-2-enoylamino)ethoxy]propoxy]ethyl]prop-2-enamide?
The IUPAC name of N-[2-[2-[2-(prop-2-enoylamino)ethoxy]propoxy]ethyl]prop-2-enamide (CID 58412122) is N-[2-[2-[2-(prop-2-enoylamino)ethoxy]propoxy]ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-[2-[2-(prop-2-enoylamino)ethoxy]propoxy]ethyl]prop-2-enamide?
The canonical SMILES for N-[2-[2-[2-(prop-2-enoylamino)ethoxy]propoxy]ethyl]prop-2-enamide is C=CC(=O)NCCOCC(C)OCCNC(=O)C=C.
What is the InChIKey of N-[2-[2-[2-(prop-2-enoylamino)ethoxy]propoxy]ethyl]prop-2-enamide?
The InChIKey is SONIYYGDAQDFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-4-12(16)14-6-8-18-10-11(3)19-9-7-15-13(17)5-2/h4-5,11H,1-2,6-10H2,3H3,(H,14,16)(H,15,17).
What are the key properties of N-[2-[2-[2-(prop-2-enoylamino)ethoxy]propoxy]ethyl]prop-2-enamide?
N-[2-[2-[2-(prop-2-enoylamino)ethoxy]propoxy]ethyl]prop-2-enamide has a molecular weight of 270.33 g/mol, XLogP of 0.01, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(prop-2-enoylamino)ethoxy]propoxy]ethyl]prop-2-enamide is sourced from PubChem (CID 58412122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).